| SpectraBase Compound ID | K2TVyNMmSre |
|---|---|
| InChI | InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-6,14H,1,7-13H2/b4-3+,6-5+ |
| InChIKey | JABQZEDFZXKPOY-VNKDHWASSA-N |
| Mol Weight | 206.33 g/mol |
| Molecular Formula | C14H22O |
| Exact Mass | 206.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6aIsAvoSSLn |
|---|---|
| Name | 9,11,13-Tetradecatrienal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.167065327 u |
| Formula | C14H22O |
| InChI | InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-6,14H,1,7-13H2/b4-3+,6-5+ |
| InChIKey | JABQZEDFZXKPOY-VNKDHWASSA-N |
| Molecular Weight | 206.329 g/mol |
| SMILES | C(\C=C\C=C\CCCCCCCC=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873593 |